SCHEMBL11297183

SCHEMBL11297183

COC(=O)c1cccc(-c2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
SCN9A Q15858 14/20 0.54
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HSD17B14 Q9BPX1 1/20 0.52
CTSA P10619 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL364607 0.93 SCN9A (0.64) MAPTSCN9A
SCHEMBL483444 0.86 MAPT (0.56) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL1260197 0.85 ALDH1A1 (0.52) RAB9ASMN1; SMN2
SCHEMBL25002897 0.84 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2SLC6A4
SCHEMBL25002929 0.84 ADORA3 (0.52) MAPTNPC1RAB9ASMN1; SMN2SCN9A
SCHEMBL11158237 0.84 SCN10A (0.45) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL23037197 0.83 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29595815 0.83 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28213723 0.83 IRAK4 (0.48) MAPTNPC1RAB9ASMN1; SMN2SCN9A
SCHEMBL4591255 0.82 SCN10A (0.65) MAPTSCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098387-A1 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-07-26 WO disclosed
WO-2012098387-A1 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-07-26 WO disclosed